(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine

C11H6BrCl3FNS — CID 114022238

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H6BrCl3FNS/c12-6-2-1-4(9(16)8(6)14)10(17)5-3-7(13)18-11(5)15/h1-3,10H,17H2
InChIKeyRJFSDFYWKHREMZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.66
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine

(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine (PubChem CID 114022238) has the molecular formula C11H6BrCl3FNS and a molecular weight of 389.50 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
PubChem CID114022238
Molecular FormulaC11H6BrCl3FNS
Molecular Weight389.50 g/mol
Exact Mass386.85
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H6BrCl3FNS/c12-6-2-1-4(9(16)8(6)14)10(17)5-3-7(13)18-11(5)15/h1-3,10H,17H2
InChIKeyRJFSDFYWKHREMZ-UHFFFAOYSA-N
XLogP5.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 79749284
(4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 106764406
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine
CID 106762682
(4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine
CID 106762249
1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
CID 106762492
(4-bromo-3-chloro-2-fluorophenyl)-quinoxalin-2-ylmethanamine
CID 107357509
(4-bromo-3-chloro-2-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
CID 106764353
(4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 80536315
(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 102828028
(2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 43344832
(4-bromo-2-methoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 113296008

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine (CID 114022238) is (4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine is NC(c1cc(Cl)sc1Cl)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
The InChIKey is RJFSDFYWKHREMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl3FNS/c12-6-2-1-4(9(16)8(6)14)10(17)5-3-7(13)18-11(5)15/h1-3,10H,17H2.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine has a molecular weight of 389.50 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine is sourced from PubChem (CID 114022238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).